3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzenecarbonitrile Openeye Name: 3-[8-[(1-morpholinosulfonyl-4-piperidyl)amino]-6-isoquinolyl]benzonitrile CAS Name: 3-[8-[[1-(4-morpholinylsulfonyl)-4-piperidinyl]amino]-6-isoquinolinyl]benzonitrile IUPAC Name: 3-[8-[(1-morpholin-4-ylsulfonylpiperidin-4-yl)amino]isoquinolin-6-yl]benzonitrile Traditional Name: 3-[8-[(1-morpholinosulfonyl-4-piperidyl)amino]-6-isoquinolyl]benzonitrile Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)S(=O)(=O)N5CCOCC5

Isomeric SMILES

C1CN(CCC1NC2=C3C=NC=CC3=CC(=C2)C4=CC=CC(=C4)C#N)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C25H27N5O3S/c26-17-19-2-1-3-20(14-19)22-15-21-4-7-27-18-24(21)25(16-22)28-23-5-8-29(9-6-23)34(31,32)30-10-12-33-13-11-30/h1-4,7,14-16,18,23,28H,5-6,8-13H2